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1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid is an organic compound with the molecular formula C10H15NO2. It is a key intermediate in the synthesis of various pharmaceutical compounds, particularly those with potential applications in the treatment of cancer and other diseases.

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  • 376387-68-7 Structure
  • Basic information

    1. Product Name: 1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid
    2. Synonyms: 1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid
    3. CAS NO:376387-68-7
    4. Molecular Formula: C9H14N2O2
    5. Molecular Weight: 182.21966
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 376387-68-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid(376387-68-7)
    11. EPA Substance Registry System: 1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid(376387-68-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 376387-68-7(Hazardous Substances Data)

376387-68-7 Usage

Uses

Used in Pharmaceutical Industry:
1-tert-Butyl-5-methyl-1H-pyrazole-3-carboxylic acid is used as a key intermediate in the synthesis of thiazolyl benzamide compounds. These compounds act as CSF-1R kinase inhibitors, which are useful in the treatment of cancer and other diseases by targeting specific cellular signaling pathways involved in tumor growth and progression.

Check Digit Verification of cas no

The CAS Registry Mumber 376387-68-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,7,6,3,8 and 7 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 376387-68:
(8*3)+(7*7)+(6*6)+(5*3)+(4*8)+(3*7)+(2*6)+(1*8)=197
197 % 10 = 7
So 376387-68-7 is a valid CAS Registry Number.

376387-68-7Upstream product

376387-68-7Relevant articles and documents

Competition between the donor and acceptor hydrogen bonds of the threads in the formation of [2]rotaxanes by clipping reaction

Martins, Marcos A. P.,Zimmer, Geórgia C.,Rodrigues, Leticia V.,Orlando, Tainára,Buriol, Lilian,Alajarin, Mateo,Berna, Jose,Frizzo, Clarissa P.,Bonacorso, Helio G.,Zanatta, Nilo

, p. 13303 - 13318 (2017/11/27)

The synthesis of benzylic amide [2]rotaxanes using 1,2-bis(aminocarbonyl-(1′-tert-butyl-1H-pyrazole-[3′]5′-yl))-ethanes as templates is reported. These templates are equipped with tert-butyl pyrazole-based stoppers and have donor (N-H) and acceptor (CO) hydrogen bond groups. The synthesis of [2]rotaxanes has been shown to be highly dependent on the tert-butylpyrazole stoppers. While the thread with 1′,3′-disubstituted pyrazoles as stopper units was shown to be an excellent template for the synthesis of [2]rotaxanes, the thread with 1′,5′-disubstituted pyrazoles as stopper units did not yield the expected [2]rotaxane. The structure of the synthesized [2]rotaxanes was characterized using NMR experiments and X-ray diffraction, with the latter showing that the macrocycle adopts a distorted chair conformation. An in-depth study of the isolated thread's X-ray structures and concentration-dependent NMR experiments seem to explain the dependence of the rotaxane formation on the substitution pattern of the thread's pyrazole stoppers.

Regio-specific synthesis of new 1-(tert-butyl)-1H-pyrazolecarboxamide derivatives

Ruatta, Santiago Matías,Murguía, Marcelo César,Ramírez de Arellano, Carmen,Fustero, Santos

supporting information, p. 2441 - 2444 (2017/06/05)

Regio-specific and non-regiospecific condensation reactions on 1,3-dicarbonyl compounds rendered 1,3,5-trisubstituted pyrazoles. Herein, the control of regio-specificity was a significant improvement in pyrazole research. A high yield acylation of poorly

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